1-Benzyl-5-(Hydroxymethyl)-6,8-Dimethyl-2,3,4-Trithia-6,8-Diazabicyclo[3.2.2]Nonane-7,9-Dione
Properties
Property | Value |
---|---|
Formula | C14H16N2O3S3 |
IUPAC Name | (1s,5s)-1-benzyl-5-(hydroxymethyl)-6,8-dimethyl-2,3,4-trithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione |
Molecular Mass | 356.483 g·mol−1 |
Heat of Formation | -341.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.73 ± 1.08 D |
Volume | 378.26 Å 3 |
Surface Area | 295.35 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -2.03 ± eV |
Point Group Symmetry | C1 |
InChIKey | AHWKVWYCCGUYET-KBPBESRZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |